Deleted system_solver.py+final editing

CADETPythonSimulator/__init__.py

@@ -1,3 +1,3 @@
-# Version information
+"""Version information."""
 name = "CADET-Python-Simulator"
 __version__ = "0.0.1"

CADETPythonSimulator/cake_compressibility.py

@@ -21,6 +21,7 @@ def specific_resistance(self, delta_p: float) -> float:
         -------
         float
             Specific pressure difference.
+
         """
         return
 
@@ -50,6 +51,7 @@ def specific_resistance(self, delta_p: float) -> float:
         -------
         float
             Specific pressure difference.
+
         """
         return self.cake_resistance
 
@@ -64,6 +66,7 @@ class LinearCakeCompressibility(CakeCompressibilityBase):
         Base value of cake resistance factor.
     cake_resistance_linear: float
         Slope of cake resistance factor.
+
     """
 
     cake_resistance_base = UnsignedFloat()
@@ -82,5 +85,6 @@ def specific_resistance(self, delta_p: float) -> float:
         -------
         float
             Specific pressure difference.
+
         """
         return self.cake_resistance_base + self.cake_resistance_linear * delta_p

CADETPythonSimulator/componentsystem.py

@@ -100,6 +100,7 @@ def __init__(self,
             raise CADETPythonSimError("Could not determine number of species")
 
     def add_species(self, species, *args, **kwargs):
+        """Add a species to the component System."""
         if not isinstance(species, CPSSpecies):
             species = CPSSpecies(species, *args, **kwargs)
         self._species.append(species)

CADETPythonSimulator/coupling_interface.py

@@ -15,7 +15,7 @@ def get_coupled_state(
         """Calculate new state for destination_unit."""
 
 
-class AverageCoupling(CouplingInterface):
+class WeightedAverageCoupling(CouplingInterface):
     """Implements the Coupling Interface for average Coupling."""
 
     def get_coupled_state(self,

CADETPythonSimulator/residual.py

@@ -36,7 +36,6 @@ def calculate_residual_volume_cstr(
 
     return V_dot - Q_in + Q_out
 
-
 def calculate_residual_concentration_cstr(
         c: np.ndarray,
         c_dot: np.ndarray,
@@ -72,14 +71,12 @@ def calculate_residual_concentration_cstr(
 
     return c_dot * V + V_dot * c - Q_in * c_in + Q_out * c
 
-
 def calculate_residual_visc_cstr():
     """Calculate the residual of the Viscosity equation of the CSTR."""
     warnings.warn("Viscosity of CSTR not yet implemented")
 
     return 0
 
-
 def calculate_residual_cake_vol_def(
         V_dot_f: float,
         rejection: np.ndarray,
@@ -106,7 +103,6 @@ def calculate_residual_cake_vol_def(
     """
     return -V_dot_C + np.sum(rejection * molar_volume * c_in * V_dot_f)
 
-
 def calculate_residual_press_easy_def(
         V_dot_Perm: float,
         V_C: float,
@@ -144,8 +140,6 @@ def calculate_residual_press_easy_def(
 
     return -V_dot_Perm + deltap * A *hyd_resistance
 
-
-
 def calculate_residual_visc_def():
     """Calculate the residual of the Viscosity equation of the CSTR."""
     warnings.warn("Viscosity of def not yet implemented")

CADETPythonSimulator/solver.py

@@ -20,10 +20,9 @@ def __init__(self, system: SystemBase, sections: list[dict]):
         self._system: Optional[SystemBase] = system
         self._setup_sections(sections)
 
-
     def _setup_sections(self, sections):
         """
-        Check Connections.
+        Set up sections.
 
         Converts dict sections into addict.Dicts. Checks if start and end times
         are continusly
@@ -41,7 +40,6 @@ def _setup_sections(self, sections):
             previous_end = section.end
         self.sections = sections
 
-
     def initialize_solver(self, solver: str = 'ida') -> NoReturn:
         """
         Initialize solver.
@@ -231,17 +229,15 @@ def get_section_solution_times(self, section: Dict) -> np.ndarray:
         end = section.end
         return np.arange(start, end, time_resolution)
 
-
-
     def _update_unit_operation_parameters(
             self,
             start: float,
             end: float,
             unit_operation_parameters: dict[
                 UnitOperationBase | str,
                 dict[str, npt.ArrayLike]
-                ]
-            ) -> np.ndarray:
+            ]
+        ) -> np.ndarray:
         """
         Update time dependent unit operation parameters.
 
@@ -266,27 +262,3 @@ def _update_unit_operation_parameters(
                     raise CADETPythonSimError(f"Unit {unit} is not Part of the System.")
 
             unit.update_parameters(start, end, parameters)
-
-    # @property
-    # def port_mapping(self) -> dict[int, str]:
-    #     """dict: Mapping of port indices to corresponding state entries."""
-    #     # TODO: Let this be handled by the SystemSolver?
-    #     port_mapping = defaultdict(dict)
-
-    #     counter = 0
-    #     for mapped_state, n_ports in self.inlet_ports.items():
-    #         for port in range(n_ports):
-    #             port_mapping['inlet'][counter] = {}
-    #             port_mapping['inlet'][counter]['mapped_state'] = mapped_state
-    #             port_mapping['inlet'][counter]['port_index'] = port
-    #             counter += 1
-
-    #     counter = 0
-    #     for mapped_state, n_ports in self.outlet_ports.items():
-    #         for port in range(n_ports):
-    #             port_mapping['outlet'][counter] = {}
-    #             port_mapping['outlet'][counter]['mapped_state'] = mapped_state
-    #             port_mapping['outlet'][counter]['port_index'] = port
-    #             counter += 1
-
-    #     return dict(port_mapping)

CADETPythonSimulator/system.py

@@ -7,7 +7,10 @@
 from scikits.odes.dae import dae
 
 from CADETPythonSimulator.state import State, state_factory
-from CADETPythonSimulator.coupling_interface import CouplingInterface, AverageCoupling
+from CADETPythonSimulator.coupling_interface import (
+    CouplingInterface,
+    WeightedAverageCoupling
+)
 
 from CADETProcess.dataStructure import Structure
 from CADETPythonSimulator.exception import NotInitializedError, CADETPythonSimError
@@ -30,7 +33,6 @@ def __init__(self, unit_operations: list[UnitOperationBase]):
                 = None
         self._setup_unit_operations(unit_operations)
 
-
     @property
     def unit_operations(self) -> dict[str, UnitOperationBase]:
         """dict: Unit operations, indexed by name."""
@@ -304,7 +306,6 @@ def coupled_state_func(self, unit_Q_list: list[dict, float]) -> dict:
             ret[state] = calc_method.get_coupled_state(unit_Q_list, state)
         return ret
 
-
     def _compute_connectivity_matrix(self, connections: list) -> np.ndarray:
         # TODO: This could be the setter for `connectivity`
         # Note, maybe we already adapt the interface s.t. we compute this matrix,
@@ -363,8 +364,6 @@ def _compute_connectivity_matrix(self, connections: list) -> np.ndarray:
         self._connectivity = connections_matrix
 
 
-
-
 class FlowSystem(SystemBase):
     """
     SystemBase Class.
@@ -376,8 +375,8 @@ class FlowSystem(SystemBase):
     def __init__(self, unit_operations: list[UnitOperationBase]):
         """Construct FlowSystem Object."""
         self.coupling_state_structure={
-            'c': AverageCoupling(),
-            'viscosity': AverageCoupling()
+            'c': WeightedAverageCoupling(),
+            'viscosity': WeightedAverageCoupling()
             }
         super().__init__(unit_operations)